1-(3-methylbutyl)-7-oxidanyl-4,6-bis(oxidanylidene)cyclohepta[b]pyridine-2-carboxylic acid

Systemtic Name: 1-(3-methylbutyl)-7-oxidanyl-4,6-bis(oxidanylidene)cyclohepta[b]pyridine-2-carboxylic acid Openeye Name: 7-hydroxy-1-isopentyl-4,6-dioxo-cyclohepta[b]pyridine-2-carboxylic acid CAS Name: 7-hydroxy-1-(3-methylbutyl)-4,6-dioxo-2-cyclohepta[b]pyridinecarboxylic acid IUPAC Name: 7-hydroxy-1-(3-methylbutyl)-4,6-dioxocyclohepta[b]pyridine-2-carboxylic acid Traditional Name: 7-hydroxy-1-isoamyl-4,6-diketo-cyclohepta[b]pyridine-2-carboxylic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=C(C(=O)C=C2C(=O)C=C1C(=O)O)O

Isomeric SMILES

CC(C)CCN1C2=CC=C(C(=O)C=C2C(=O)C=C1C(=O)O)O

InChI

InChI=1S/C16H17NO5/c1-9(2)5-6-17-11-3-4-13(18)15(20)7-10(11)14(19)8-12(17)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,18,20)(H,21,22)